RefChem:235546
TL;DR: RefChem:235546 (CAS 145441-33-4) is a chemical compound with molecular formula C17H18F17NO2 and molecular weight 591.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)azaniumyl]butanoate
Also Known As: N,N-Dimethyl-N-(3-F-octylpropyl)-4-ammoniobutanoate, 1-Undecanaminium, N-(3-carboxypropyl)-N,N-dimethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-, hydroxide, inner salt, 4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)di(methyl)azaniumyl]butanoate, 4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)dimethylazaniumyl]butanoate, 4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)azaniumyl]butanoate
Technical Specifications
| Molecular Formula | C17H18F17NO2 |
| Molecular Weight | 591.1066 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 591.1066 Da |
| Heavy Atoms | 37 |
| Complexity | 799.0 |
| SMILES | C[N+](C)(CCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | LSDGCEUAYZBYAI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:235546
Property Insights of RefChem:235546
The XLogP value of 7.3 indicates that RefChem:235546 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, RefChem:235546 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235546 has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:235546?
The CAS number of RefChem:235546 is 145441-33-4.
What is the molecular formula of RefChem:235546?
The molecular formula of RefChem:235546 is C17H18F17NO2.
What is the molecular weight of RefChem:235546?
The molecular weight of RefChem:235546 is 591.1066 g/mol.
Where can I buy RefChem:235546?
You can request a quote for RefChem:235546 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:235546?
Yes, CoreyChem provides custom synthesis services for RefChem:235546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.